SCHEMBL28405111

SCHEMBL28405111

O=C(O)C1CCC(O)CC1C(=O)OCC1CO1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
MGLL Q99685 4/20 0.36
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14550604 0.91 TP53 (0.73) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL1464481 0.86 TP53 (0.65) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL429427 0.85 TP53 (0.86) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL27951389 0.85 TP53 (0.86) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL27821805 0.84 TP53 (0.58) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL27564921 0.84 TP53 (0.58) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL31688117 0.84 TP53 (0.85) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL28169056 0.82 TP53 (0.65) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL18428568 0.82 TP53 (0.74) TP53CYP3A4ALDH1A1LMNAMGLL
SCHEMBL1045748 0.82 TP53 (0.74) TP53CYP3A4ALDH1A1LMNAMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573470-B Modified thermosetting phenolic resin and preparation method thereof 航天材料及工艺研究所 2020-05-12 CN disclosed